2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-propan-2-ylamino]ethanol

C11H19FN4O — CID 80810772

IUPAC2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-propan-2-ylamino]ethanol
SMILESCCNc1ncc(F)c(N(CCO)C(C)C)n1
InChIInChI=1S/C11H19FN4O/c1-4-13-11-14-7-9(12)10(15-11)16(5-6-17)8(2)3/h7-8,17H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyKOAIKSWAYGQMFB-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.25
Rot. Bonds6

About 2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-propan-2-ylamino]ethanol

2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-propan-2-ylamino]ethanol (PubChem CID 80810772) has the molecular formula C11H19FN4O and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-propan-2-ylamino]ethanol
PubChem CID80810772
Molecular FormulaC11H19FN4O
Molecular Weight242.30 g/mol
Exact Mass242.15
IUPAC Name2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-propan-2-ylamino]ethanol
SMILESCCNc1ncc(F)c(N(CCO)C(C)C)n1
InChIInChI=1S/C11H19FN4O/c1-4-13-11-14-7-9(12)10(15-11)16(5-6-17)8(2)3/h7-8,17H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyKOAIKSWAYGQMFB-UHFFFAOYSA-N
XLogP1.25
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol
CID 80810049
3-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol
CID 80811125
2-[cyclopropyl-[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]ethanol
CID 80811535
5-fluoro-2-N-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine
CID 80775301
2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
CID 80811048
2-[benzyl-[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]ethanol
CID 80798327
5-bromo-2-N-ethyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine
CID 80774882
2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide
CID 80821237
2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)-propan-2-ylamino]ethanol
CID 80904213
4-N-butan-2-yl-4-N-ethyl-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80782815
2-[(3-fluoro-2-pyridinyl)-propan-2-ylamino]ethanol
CID 62733627
4-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-3-methylbutan-1-ol
CID 80851152

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-propan-2-ylamino]ethanol?
The IUPAC name of 2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-propan-2-ylamino]ethanol (CID 80810772) is 2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-propan-2-ylamino]ethanol is CCNc1ncc(F)c(N(CCO)C(C)C)n1.
What is the InChIKey of 2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-propan-2-ylamino]ethanol?
The InChIKey is KOAIKSWAYGQMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN4O/c1-4-13-11-14-7-9(12)10(15-11)16(5-6-17)8(2)3/h7-8,17H,4-6H2,1-3H3,(H,13,14,15).
What are the key properties of 2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-propan-2-ylamino]ethanol?
2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-propan-2-ylamino]ethanol has a molecular weight of 242.30 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-propan-2-ylamino]ethanol is sourced from PubChem (CID 80810772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).